2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol

C16H21N3O — CID 155961404

IUPAC2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol
SMILESOCCn1cnc(CN2CCCC2c2ccccc2)c1
InChIInChI=1S/C16H21N3O/c20-10-9-18-11-15(17-13-18)12-19-8-4-7-16(19)14-5-2-1-3-6-14/h1-3,5-6,11,13,16,20H,4,7-10,12H2
InChIKeyANEMCQDWAYZUKE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds5

About 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol

2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol (PubChem CID 155961404) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol
PubChem CID155961404
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol
SMILESOCCn1cnc(CN2CCCC2c2ccccc2)c1
InChIInChI=1S/C16H21N3O/c20-10-9-18-11-15(17-13-18)12-19-8-4-7-16(19)14-5-2-1-3-6-14/h1-3,5-6,11,13,16,20H,4,7-10,12H2
InChIKeyANEMCQDWAYZUKE-UHFFFAOYSA-N
XLogP2.21
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol (CID 155961404) is 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol is OCCn1cnc(CN2CCCC2c2ccccc2)c1.
What is the InChIKey of 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol?
The InChIKey is ANEMCQDWAYZUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-10-9-18-11-15(17-13-18)12-19-8-4-7-16(19)14-5-2-1-3-6-14/h1-3,5-6,11,13,16,20H,4,7-10,12H2.
What are the key properties of 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol?
2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanol is sourced from PubChem (CID 155961404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).